6-bromo-1,2-dihydrotriphenylene

C18H13Br — CID 144751099

IUPAC6-bromo-1,2-dihydrotriphenylene
SMILESBrc1ccc2c(c1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-2,4-5,7-11H,3,6H2
InChIKeyNCCXUMPBDPFIOT-UHFFFAOYSA-N
MW309.21 g/mol
LogP5.71
Rot. Bonds

About 6-bromo-1,2-dihydrotriphenylene

6-bromo-1,2-dihydrotriphenylene (PubChem CID 144751099) has the molecular formula C18H13Br and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-1,2-dihydrotriphenylene.

Molecular Properties

Compound Name6-bromo-1,2-dihydrotriphenylene
PubChem CID144751099
Molecular FormulaC18H13Br
Molecular Weight309.21 g/mol
Exact Mass308.02
IUPAC Name6-bromo-1,2-dihydrotriphenylene
SMILESBrc1ccc2c(c1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-2,4-5,7-11H,3,6H2
InChIKeyNCCXUMPBDPFIOT-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.21
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1,2-dihydrotriphenylene
CID 123255484
9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
2-[4-[4-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90295397
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
9,10-di(propan-2-yl)-3,4-dihydrophenanthrene
CID 155644326
6-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 155111528
4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
CID 163514746
6-methyl-1,2-dihydrochrysene
CID 143566629
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
11-(9,10-dihydrotriphenylen-2-yl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162025396
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dihydrotriphenylene?
The IUPAC name of 6-bromo-1,2-dihydrotriphenylene (CID 144751099) is 6-bromo-1,2-dihydrotriphenylene.
What is the SMILES notation for 6-bromo-1,2-dihydrotriphenylene?
The canonical SMILES for 6-bromo-1,2-dihydrotriphenylene is Brc1ccc2c(c1)c1c(c3ccccc32)CCC=C1.
What is the InChIKey of 6-bromo-1,2-dihydrotriphenylene?
The InChIKey is NCCXUMPBDPFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-2,4-5,7-11H,3,6H2.
What are the key properties of 6-bromo-1,2-dihydrotriphenylene?
6-bromo-1,2-dihydrotriphenylene has a molecular weight of 309.21 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dihydrotriphenylene is sourced from PubChem (CID 144751099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).